rayhe88 / cube3D

Find critical points and bond path in a density cube

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             README file for Cube3D
                 February, 2018

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What is Cube3D?

Cube3D is a code to find critical points of scalar fields from quantum chemistry in the gaussian "cube" format.

This code has been developed in UAM-I (Universidad Autónoma Metropolitana - Iztapalapa) and updated on my stayd at McMaster.

Lagrange interpolators are used to indicate the polynomial to use. For evaluation of fields it is recommended to use grade 2 and for the search of critical points grade 3.